#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k0s h LYS 2 N 0.00 0.60 0.00 2.12 1.57 -2.03 -3.45 116.57 115.38 1k0s h LYS 2 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1k0s h LYS 2 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1k0s h LYS 2 CO 0.00 0.40 0.00 2.41 -0.57 0.00 0.00 179.45 181.69 1k0s n THR 3 N -4.78 0.00 -0.22 -0.16 -1.04 -1.26 -4.42 114.28 102.41 1k0s n THR 3 Ca 0.02 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.95 1k0s n THR 3 Cb 0.04 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.58 1k0s n THR 3 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 1k0s h LEU 4 N 0.00 0.99 -9.31 -4.42 8.10 -2.09 -3.42 115.31 105.17 1k0s h LEU 4 Ca 0.00 -0.27 -0.58 0.00 0.11 0.00 0.00 57.88 57.13 1k0s h LEU 4 Cb 0.00 -0.26 -0.09 0.00 -0.44 0.00 0.00 40.66 39.86 1k0s h LEU 4 CO 0.00 1.01 -0.27 0.00 -4.11 0.00 0.00 178.44 175.08 1k0s s ALA 5 N -5.16 3.55 0.19 0.17 0.00 -1.26 -5.05 121.76 114.20 1k0s s ALA 5 Ca -0.12 -0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.17 1k0s s ALA 5 Cb 0.13 -2.47 -0.09 0.00 0.00 0.00 0.00 23.12 20.69 1k0s s ALA 5 CO 0.84 0.06 1.36 -0.51 0.00 0.00 0.00 175.76 177.52 1k0s s ASP 6 N 0.51 6.82 0.24 0.00 1.11 -1.26 -4.84 116.67 119.25 1k0s s ASP 6 Ca 0.20 2.45 -0.31 0.00 0.18 0.00 0.00 52.55 55.06 1k0s s ASP 6 Cb -0.14 -2.61 -0.12 0.00 1.07 0.00 0.00 42.92 41.12 1k0s s ASP 6 CO 0.06 -0.60 1.60 0.00 1.18 0.00 0.00 175.17 177.41 1k0s n ALA 7 N 2.91 2.22 -1.23 5.23 0.00 -1.26 -4.88 120.51 123.50 1k0s n ALA 7 Ca 0.08 0.40 -0.20 0.00 0.00 0.00 0.00 53.44 53.71 1k0s n ALA 7 Cb 0.42 -2.43 -0.07 0.00 0.00 0.00 0.00 19.45 17.37 1k0s n ALA 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1k0s n LEU 8 N 2.94 6.11 0.10 0.00 7.99 -1.26 -4.04 117.00 128.84 1k0s n LEU 8 Ca 0.13 -3.65 0.00 0.00 -0.01 0.00 0.00 56.01 52.48 1k0s n LEU 8 Cb 0.34 -1.25 0.00 0.00 -0.11 0.00 0.00 43.42 42.40 1k0s n LEU 8 CO 0.64 1.61 0.00 1.17 -1.51 0.00 0.00 177.39 179.30 1k0s n LYS 9 N 1.23 0.00 -4.15 3.23 3.00 -1.26 -4.82 118.16 115.39 1k0s n LYS 9 Ca 0.42 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.64 1k0s n LYS 9 Cb 0.64 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.57 1k0s n LYS 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1k0s s GLU 10 N -2.00 0.88 -0.28 1.64 2.02 -1.26 -3.25 118.70 116.46 1k0s s GLU 10 Ca 0.00 -1.41 -0.25 0.00 0.02 0.00 0.00 54.97 53.34 1k0s s GLU 10 Cb 0.00 0.18 0.10 0.00 0.10 0.00 0.00 34.13 34.51 1k0s s GLU 10 CO 0.00 -0.21 0.90 0.12 0.02 0.00 0.00 175.26 176.09 1k0s s PHE 11 N -3.98 -0.61 -0.00 1.61 5.36 0.34 -4.37 117.98 116.34 1k0s s PHE 11 Ca 0.21 1.47 -0.21 0.00 -0.96 0.00 0.00 56.93 57.44 1k0s s PHE 11 Cb 0.07 0.33 -0.05 0.00 -0.34 0.00 0.00 43.02 43.03 1k0s s PHE 11 CO -0.00 -0.29 0.60 -1.21 -1.46 0.00 0.00 175.22 172.86 1k0s s GLU 12 N 0.33 4.32 0.24 10.12 2.02 -1.26 -0.09 118.70 134.39 1k0s s GLU 12 Ca 0.02 0.75 -0.13 0.00 0.02 0.00 0.00 54.97 55.62 1k0s s GLU 12 Cb -0.05 -3.34 -0.00 0.00 0.10 0.00 0.00 34.13 30.84 1k0s s GLU 12 CO -0.04 0.37 0.49 0.54 0.02 0.00 0.00 175.26 176.64 1k0s s VAL 13 N -0.20 0.01 0.05 2.63 0.11 -0.34 -4.40 120.40 118.26 1k0s s VAL 13 Ca 0.31 -1.34 -0.20 0.00 -2.93 0.00 0.00 61.98 57.83 1k0s s VAL 13 Cb -0.18 -2.13 -0.06 0.00 -1.53 0.00 0.00 36.38 32.48 1k0s s VAL 13 CO 0.17 -0.02 0.59 -0.22 -3.33 0.00 0.00 175.10 172.29 1k0s s LEU 14 N -3.00 4.49 0.03 2.54 1.98 -0.89 0.14 118.68 123.97 1k0s s LEU 14 Ca 0.20 1.25 -0.08 0.00 -2.89 0.00 0.00 54.13 52.61 1k0s s LEU 14 Cb -0.01 -2.93 -0.00 0.00 0.66 0.00 0.00 46.19 43.91 1k0s s LEU 14 CO 0.08 0.21 0.16 -0.94 -1.89 0.00 0.00 176.35 173.96 1k0s s SER 15 N -0.77 0.07 0.11 3.68 1.04 0.73 -1.72 113.70 116.84 1k0s s SER 15 Ca 0.30 -0.38 -0.16 0.00 0.48 0.00 0.00 55.95 56.20 1k0s s SER 15 Cb -0.19 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.22 1k0s s SER 15 CO 0.19 -0.51 0.38 0.72 0.98 0.00 0.00 173.24 175.00 1k0s s PHE 16 N -2.36 -0.18 -0.18 5.02 -0.71 0.50 0.13 117.98 120.20 1k0s s PHE 16 Ca -0.07 -0.10 -0.21 0.00 -1.04 0.00 0.00 56.93 55.51 1k0s s PHE 16 Cb -0.02 0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 41.98 1k0s s PHE 16 CO -0.03 -0.66 0.65 -1.21 -1.34 0.00 0.00 175.22 172.63 1k0s s GLU 17 N -3.57 4.24 -0.46 1.99 0.41 0.15 -0.41 118.70 121.06 1k0s s GLU 17 Ca 0.02 0.67 0.03 0.00 -0.41 0.00 0.00 54.97 55.27 1k0s s GLU 17 Cb 0.02 -3.56 0.12 0.00 -1.78 0.00 0.00 34.13 28.92 1k0s s GLU 17 CO -0.10 -0.22 0.20 0.42 -0.49 0.00 0.00 175.26 175.07 1k0s s ILE 18 N 1.82 2.67 -1.18 -1.63 -1.09 0.27 -4.15 121.20 117.92 1k0s s ILE 18 Ca 0.30 -2.83 -0.30 0.00 -2.23 0.00 0.00 60.65 55.59 1k0s s ILE 18 Cb -0.16 -2.87 0.03 0.00 -1.58 0.00 0.00 42.46 37.87 1k0s s ILE 18 CO 0.11 -0.73 0.73 0.47 -1.23 0.00 0.00 174.94 174.29 1k0s n ASP 19 N 3.68 -4.62 0.00 3.58 9.92 -1.26 -1.53 116.55 126.32 1k0s n ASP 19 Ca 0.04 -1.19 0.00 0.00 -0.53 0.00 0.00 54.79 53.11 1k0s n ASP 19 Cb 0.37 -2.32 0.00 0.00 -0.64 0.00 0.00 41.12 38.53 1k0s n ASP 19 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1k0s n GLU 20 N -4.71 0.00 -3.16 -1.24 1.02 -1.26 -4.75 120.64 106.54 1k0s n GLU 20 Ca -0.10 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.73 1k0s n GLU 20 Cb 0.57 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.95 1k0s n GLU 20 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1k0s s GLN 21 N 0.00 3.78 0.37 3.49 1.03 -0.58 -4.99 119.66 122.75 1k0s s GLN 21 Ca 0.00 0.33 -0.07 0.00 0.04 0.00 0.00 55.36 55.66 1k0s s GLN 21 Cb 0.00 -2.52 -0.05 0.00 0.03 0.00 0.00 33.01 30.46 1k0s s GLN 21 CO 0.00 0.14 0.68 0.00 -2.54 0.00 0.00 175.29 173.57 1k0s s ALA 22 N -2.11 3.48 -0.03 2.60 0.00 -1.23 0.97 121.76 125.44 1k0s s ALA 22 Ca 0.49 -0.41 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 1k0s s ALA 22 Cb -0.11 -2.51 0.02 0.00 0.00 0.00 0.00 23.12 20.53 1k0s s ALA 22 CO 0.27 0.05 0.06 -1.17 0.00 0.00 0.00 175.76 174.97 1k0s s LEU 23 N -3.85 1.28 0.03 0.00 2.96 0.45 0.14 118.68 119.69 1k0s s LEU 23 Ca 0.47 0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 54.50 1k0s s LEU 23 Cb -0.10 0.12 -0.03 0.00 0.50 0.00 0.00 46.19 46.68 1k0s s LEU 23 CO 0.32 -0.09 -0.02 0.00 -1.32 0.00 0.00 176.35 175.24 1k0s s ALA 24 N 0.69 0.23 0.01 5.97 0.00 0.23 -0.37 121.76 128.52 1k0s s ALA 24 Ca -0.05 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1k0s s ALA 24 Cb -0.08 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 1k0s s ALA 24 CO -0.02 -0.23 -0.04 -0.06 0.00 0.00 0.00 175.76 175.40 1k0s s PHE 25 N -2.27 0.34 -0.89 0.00 0.40 -0.70 -0.79 117.98 114.07 1k0s s PHE 25 Ca -0.08 -0.27 -0.31 0.00 -0.60 0.00 0.00 56.93 55.67 1k0s s PHE 25 Cb -0.04 -0.22 -0.19 0.00 0.51 0.00 0.00 43.02 43.08 1k0s s PHE 25 CO -0.04 -0.07 2.63 -0.40 0.70 0.00 0.00 175.22 178.04 1k0s n ASP 26 N 2.29 0.67 0.30 1.36 5.75 -0.68 -2.10 116.55 124.15 1k0s n ASP 26 Ca -0.18 0.08 0.07 0.00 -0.01 0.00 0.00 54.79 54.76 1k0s n ASP 26 Cb 0.57 -1.04 0.38 0.00 -1.03 0.00 0.00 41.12 40.00 1k0s n ASP 26 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 1k0s h VAL 27 N 7.90 0.00 -0.41 2.12 3.04 -1.86 0.62 116.25 127.66 1k0s h VAL 27 Ca -0.09 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.55 1k0s h VAL 27 Cb 1.31 0.31 -0.02 0.00 -2.01 0.00 0.00 31.29 30.88 1k0s h VAL 27 CO 1.34 0.00 0.04 -0.78 -1.01 0.00 0.00 177.57 177.16 1k0s h ASP 28 N 0.00 0.68 0.11 3.17 1.82 -1.87 -3.20 116.42 117.13 1k0s h ASP 28 Ca 0.00 -0.28 -0.21 0.00 -0.39 0.00 0.00 57.03 56.15 1k0s h ASP 28 Cb 1.25 -0.18 0.02 0.00 0.68 0.00 0.00 39.33 41.10 1k0s h ASP 28 CO 0.00 0.79 -0.89 -1.13 -1.61 0.00 0.00 179.24 176.40 1k0s h ASN 29 N 0.55 0.59 -2.66 2.28 -0.73 -0.12 -3.45 115.58 112.04 1k0s h ASN 29 Ca 0.12 -0.87 -0.53 0.00 1.87 0.00 0.00 56.30 56.89 1k0s h ASN 29 Cb 0.42 -0.19 0.03 0.00 0.27 0.00 0.00 38.32 38.85 1k0s h ASN 29 CO 0.01 1.41 1.01 -0.63 -0.37 0.00 0.00 177.43 178.87 1k0s s ILE 30 N -2.76 2.90 0.00 2.57 -1.09 -0.84 -1.76 121.20 120.23 1k0s s ILE 30 Ca -0.12 0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 1k0s s ILE 30 Cb 0.03 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 1k0s s ILE 30 CO 0.86 0.00 0.00 -0.62 -1.23 0.00 0.00 174.94 173.95 1k0s n GLU 31 N 5.51 0.00 -3.58 2.79 -0.58 0.17 -4.81 120.64 120.14 1k0s n GLU 31 Ca 0.16 0.13 -0.16 0.00 -0.42 0.00 0.00 57.16 56.87 1k0s n GLU 31 Cb 0.40 -0.56 -0.06 0.00 -0.57 0.00 0.00 31.44 30.64 1k0s n GLU 31 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1k0s s MET 32 N -0.34 0.98 -0.12 3.49 -1.94 -1.21 -4.98 119.30 115.18 1k0s s MET 32 Ca 0.00 0.09 -0.21 0.00 -1.71 0.00 0.00 55.69 53.86 1k0s s MET 32 Cb 0.00 0.45 -0.03 0.00 2.01 0.00 0.00 34.83 37.26 1k0s s MET 32 CO 0.00 -0.31 0.61 0.14 -0.01 0.00 0.00 175.02 175.46 1k0s s VAL 33 N -1.40 5.08 0.59 -6.03 -7.23 -1.26 -0.93 120.40 109.22 1k0s s VAL 33 Ca -0.11 1.22 0.10 0.00 -1.81 0.00 0.00 61.98 61.38 1k0s s VAL 33 Cb -0.01 -3.95 0.09 0.00 0.56 0.00 0.00 36.38 33.08 1k0s s VAL 33 CO 0.07 0.23 0.80 0.27 -0.31 0.00 0.00 175.10 176.16 1k0s s ILE 34 N 1.08 2.03 0.28 -0.62 -4.36 0.20 -4.93 121.20 114.89 1k0s s ILE 34 Ca 0.31 -1.02 -0.11 0.00 -0.26 0.00 0.00 60.65 59.58 1k0s s ILE 34 Cb -0.16 -2.05 -0.08 0.00 1.25 0.00 0.00 42.46 41.42 1k0s s ILE 34 CO 0.13 0.00 0.63 -1.61 0.24 0.00 0.00 174.94 174.33 1k0s s GLU 35 N -4.69 3.85 -0.00 0.37 2.02 -1.26 -2.20 118.70 116.79 1k0s s GLU 35 Ca 0.61 0.39 -0.21 0.00 0.02 0.00 0.00 54.97 55.79 1k0s s GLU 35 Cb -0.05 -2.55 -0.05 0.00 0.10 0.00 0.00 34.13 31.57 1k0s s GLU 35 CO 0.39 0.22 0.60 0.21 0.02 0.00 0.00 175.26 176.70 1k0s s LYS 36 N -3.03 4.32 0.00 1.61 2.20 -1.26 -4.68 119.74 118.89 1k0s s LYS 36 Ca 0.50 0.74 0.00 0.00 -0.36 0.00 0.00 55.97 56.84 1k0s s LYS 36 Cb -0.11 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1k0s s LYS 36 CO 0.22 0.37 0.00 0.45 -0.36 0.00 0.00 175.35 176.03 1k0s n SER 37 N 2.72 0.00 -4.66 1.43 2.88 -1.26 -4.99 113.62 109.74 1k0s n SER 37 Ca -0.07 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.07 1k0s n SER 37 Cb 0.51 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.99 1k0s n SER 37 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1k0s n ASP 38 N 0.26 1.87 0.00 -3.46 9.92 -1.26 -4.87 116.55 119.00 1k0s n ASP 38 Ca 0.00 1.03 0.00 0.00 -0.53 0.00 0.00 54.79 55.29 1k0s n ASP 38 Cb 0.00 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.04 1k0s n ASP 38 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1k0s n ILE 39 N -0.57 0.00 -3.06 0.53 5.41 -1.26 -5.06 119.36 115.35 1k0s n ILE 39 Ca 0.09 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.66 1k0s n ILE 39 Cb 0.41 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.32 1k0s n ILE 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1k0s n THR 40 N -2.50 -0.36 -0.08 1.39 -1.04 -1.26 -4.77 114.28 105.65 1k0s n THR 40 Ca 0.00 -3.42 -0.17 0.00 -2.04 0.00 0.00 64.05 58.42 1k0s n THR 40 Cb 0.00 -0.52 -0.12 0.00 -1.82 0.00 0.00 70.33 67.87 1k0s n THR 40 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1k0s h PRO 41 N 3.64 0.00 0.03 -2.82 0.13 -1.97 -3.28 132.00 127.74 1k0s h PRO 41 Ca 0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1k0s h PRO 41 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1k0s h PRO 41 CO 0.41 0.98 -0.02 0.28 -0.23 0.00 0.00 178.00 179.42 1k0s h VAL 42 N -1.00 1.05 0.00 1.56 2.07 -1.97 -3.30 116.25 114.66 1k0s h VAL 42 Ca -0.13 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1k0s h VAL 42 Cb 1.10 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1k0s h VAL 42 CO -0.08 0.34 0.00 -0.81 0.02 0.00 0.00 177.57 177.04 1k0s n PRO 43 N -4.73 0.07 -1.03 1.57 -0.04 -1.26 -4.80 135.00 124.78 1k0s n PRO 43 Ca -0.06 0.55 -0.36 0.00 -0.04 0.00 0.00 63.50 63.59 1k0s n PRO 43 Cb 0.29 -1.74 0.04 0.00 -0.04 0.00 0.00 33.50 32.06 1k0s n PRO 43 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1k0s n LYS 44 N -1.89 -0.02 -2.65 0.54 4.81 -1.24 -4.97 118.16 112.74 1k0s n LYS 44 Ca -0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 1k0s n LYS 44 Cb 0.03 -1.11 0.09 0.00 0.02 0.00 0.00 35.03 34.06 1k0s n LYS 44 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1k0s n SER 45 N 2.75 -1.09 0.00 3.14 2.88 -1.26 -5.02 113.62 115.02 1k0s n SER 45 Ca 0.01 -1.60 0.00 0.00 -1.33 0.00 0.00 58.87 55.95 1k0s n SER 45 Cb 0.54 0.73 0.00 0.00 -0.75 0.00 0.00 64.21 64.74 1k0s n SER 45 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1k0s n ARG 46 N 1.16 0.00 -2.87 -1.46 5.12 -1.26 -5.06 116.66 112.29 1k0s n ARG 46 Ca -0.02 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.79 1k0s n ARG 46 Cb 0.73 -0.19 0.05 0.00 -1.16 0.00 0.00 32.46 31.88 1k0s n ARG 46 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1k0s n HIS 47 N -0.83 -1.29 0.00 -1.55 8.25 -1.26 -4.66 115.22 113.88 1k0s n HIS 47 Ca 0.00 0.51 0.00 0.00 -0.26 0.00 0.00 57.72 57.97 1k0s n HIS 47 Cb 0.00 -3.46 0.00 0.00 1.12 0.00 0.00 29.99 27.65 1k0s n HIS 47 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1k0s n PHE 48 N -3.07 -0.00 -2.40 4.41 7.35 -1.26 -5.10 117.46 117.40 1k0s n PHE 48 Ca -0.10 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.17 1k0s n PHE 48 Cb 0.57 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.37 1k0s n PHE 48 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1k0s s VAL 49 N -1.16 3.99 0.12 -2.13 1.01 -1.26 -4.12 120.40 116.85 1k0s s VAL 49 Ca 0.00 1.42 -0.12 0.00 0.00 0.00 0.00 61.98 63.28 1k0s s VAL 49 Cb 0.00 -3.91 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 1k0s s VAL 49 CO 0.00 0.09 1.38 1.05 0.00 0.00 0.00 175.10 177.62 1k0s h GLU 50 N 6.92 0.86 0.00 2.72 4.11 -1.56 -3.47 114.58 124.17 1k0s h GLU 50 Ca -0.41 -0.59 0.10 0.00 0.07 0.00 0.00 59.36 58.54 1k0s h GLU 50 Cb 1.21 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1k0s h GLU 50 CO 0.83 1.22 0.37 0.41 0.07 0.00 0.00 179.01 181.90 1k0s n GLY 51 N 0.46 0.85 3.81 1.06 0.00 -0.97 -4.64 105.19 105.76 1k0s n GLY 51 Ca -0.05 -1.05 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 1k0s n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k0s s VAL 52 N -2.25 0.00 -0.18 1.61 -7.23 -1.26 -0.72 120.40 110.37 1k0s s VAL 52 Ca 0.14 -1.05 -0.28 0.00 -1.81 0.00 0.00 61.98 58.98 1k0s s VAL 52 Cb -0.02 -2.24 0.08 0.00 0.56 0.00 0.00 36.38 34.76 1k0s s VAL 52 CO 0.03 0.00 0.75 0.27 -0.31 0.00 0.00 175.10 175.84 1k0s s ILE 53 N -3.53 0.00 0.04 -0.62 -4.36 -0.82 -4.28 121.20 107.64 1k0s s ILE 53 Ca 0.14 0.00 -0.20 0.00 -0.26 0.00 0.00 60.65 60.32 1k0s s ILE 53 Cb -0.05 -1.00 -0.06 0.00 1.25 0.00 0.00 42.46 42.60 1k0s s ILE 53 CO 0.09 0.00 0.60 0.21 0.24 0.00 0.00 174.94 176.07 1k0s s ASN 54 N -0.31 7.05 -0.28 4.36 3.84 -1.26 -0.14 114.94 128.19 1k0s s ASN 54 Ca -0.04 1.24 -0.25 0.00 0.21 0.00 0.00 52.86 54.02 1k0s s ASN 54 Cb -0.03 -2.37 0.13 0.00 -0.55 0.00 0.00 41.25 38.43 1k0s s ASN 54 CO 0.04 0.19 1.07 -0.22 -2.79 0.00 0.00 177.10 175.39 1k0s s LEU 55 N -0.68 -0.41 -1.47 3.21 2.96 -0.39 -4.95 118.68 116.95 1k0s s LEU 55 Ca 0.30 0.79 -0.05 0.00 -0.22 0.00 0.00 54.13 54.95 1k0s s LEU 55 Cb -0.19 1.80 0.04 0.00 0.50 0.00 0.00 46.19 48.34 1k0s s LEU 55 CO 0.19 -0.14 0.58 0.54 -1.32 0.00 0.00 176.35 176.20 1k0s n ARG 56 N 2.14 -3.67 -3.81 1.98 1.74 -1.26 -0.83 116.66 112.94 1k0s n ARG 56 Ca -0.12 0.44 -0.28 0.00 -0.77 0.00 0.00 57.85 57.12 1k0s n ARG 56 Cb 0.56 -4.81 0.04 0.00 -1.02 0.00 0.00 32.46 27.23 1k0s n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k0s n GLY 57 N -1.80 -0.51 3.60 -0.13 0.00 -1.26 -4.96 105.19 100.14 1k0s n GLY 57 Ca -0.19 0.21 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1k0s n GLY 57 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k0s s ARG 58 N -6.51 0.38 -0.19 1.61 6.06 -0.01 -5.15 118.95 115.14 1k0s s ARG 58 Ca 0.63 0.71 -0.21 0.00 -2.50 0.00 0.00 55.73 54.35 1k0s s ARG 58 Cb -0.30 0.16 -0.03 0.00 0.06 0.00 0.00 34.95 34.84 1k0s s ARG 58 CO 0.80 -0.09 0.64 0.42 -2.50 0.00 0.00 175.30 174.57 1k0s s ILE 59 N 1.58 5.02 -0.02 4.11 1.09 -1.26 -1.26 121.20 130.45 1k0s s ILE 59 Ca -0.08 1.20 -0.20 0.00 -1.10 0.00 0.00 60.65 60.47 1k0s s ILE 59 Cb -0.04 -3.95 -0.05 0.00 -1.06 0.00 0.00 42.46 37.35 1k0s s ILE 59 CO -0.16 0.11 0.58 0.27 -0.10 0.00 0.00 174.94 175.65 1k0s s ILE 60 N 1.88 4.95 -0.31 2.92 -5.25 0.80 -4.86 121.20 121.33 1k0s s ILE 60 Ca 0.29 1.21 -0.13 0.00 -0.99 0.00 0.00 60.65 61.03 1k0s s ILE 60 Cb -0.16 -3.92 -0.03 0.00 2.95 0.00 0.00 42.46 41.30 1k0s s ILE 60 CO 0.11 0.40 0.29 -2.16 -1.79 0.00 0.00 174.94 171.79 1k0s s PRO 61 N -0.08 3.76 -0.13 0.37 0.04 -1.24 -1.94 135.00 135.79 1k0s s PRO 61 Ca 0.31 -0.33 -0.12 0.00 0.04 0.00 0.00 61.00 60.90 1k0s s PRO 61 Cb -0.18 -3.73 -0.05 0.00 0.04 0.00 0.00 34.50 30.58 1k0s s PRO 61 CO 0.16 -0.36 0.25 0.14 0.04 0.00 0.00 177.00 177.24 1k0s s VAL 62 N 1.90 5.32 0.06 -0.36 -7.23 0.10 -1.29 120.40 118.91 1k0s s VAL 62 Ca 0.10 0.47 -0.02 0.00 -1.81 0.00 0.00 61.98 60.71 1k0s s VAL 62 Cb -0.16 -3.57 -0.03 0.00 0.56 0.00 0.00 36.38 33.17 1k0s s VAL 62 CO 0.11 0.47 0.01 -0.69 -0.31 0.00 0.00 175.10 174.69 1k0s s VAL 63 N -0.09 0.20 -1.26 1.32 1.01 -0.55 -1.37 120.40 119.67 1k0s s VAL 63 Ca 0.16 -1.68 -0.14 0.00 0.00 0.00 0.00 61.98 60.31 1k0s s VAL 63 Cb -0.13 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1k0s s VAL 63 CO 0.04 -0.93 2.28 0.59 0.00 0.00 0.00 175.10 177.08 1k0s n ASN 64 N 0.09 4.60 -0.03 3.32 4.13 -1.26 -1.91 115.26 124.20 1k0s n ASN 64 Ca -0.14 -2.69 0.24 0.00 1.68 0.00 0.00 54.58 53.67 1k0s n ASN 64 Cb 0.61 -1.44 0.69 0.00 -1.54 0.00 0.00 39.78 38.11 1k0s n ASN 64 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1k0s h LEU 65 N 10.16 0.00 -1.68 3.41 6.46 -1.83 0.51 115.31 132.34 1k0s h LEU 65 Ca 0.58 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 58.30 1k0s h LEU 65 Cb 0.52 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 1k0s h LEU 65 CO 1.84 0.00 -0.19 0.00 -0.62 0.00 0.00 178.44 179.47 1k0s h ALA 66 N 1.33 1.46 0.10 1.25 0.00 -1.84 0.27 119.26 121.83 1k0s h ALA 66 Ca 0.31 -0.17 -0.34 0.00 0.00 0.00 0.00 54.91 54.71 1k0s h ALA 66 Cb 1.58 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1k0s h ALA 66 CO -0.00 0.24 -1.81 1.57 0.00 0.00 0.00 179.25 179.25 1k0s h LYS 67 N 0.00 0.22 -0.72 0.00 5.09 -0.16 0.99 116.57 122.00 1k0s h LYS 67 Ca -0.00 -0.38 -0.01 0.00 0.09 0.00 0.00 60.65 60.35 1k0s h LYS 67 Cb 0.39 0.14 -0.03 0.00 0.10 0.00 0.00 32.23 32.83 1k0s h LYS 67 CO 0.02 1.05 0.40 0.97 -2.09 0.00 0.00 179.45 179.81 1k0s h ILE 68 N 0.06 1.21 0.12 0.07 2.10 -1.21 -1.49 117.51 118.36 1k0s h ILE 68 Ca -0.35 -0.51 -0.29 0.00 1.08 0.00 0.00 64.86 64.80 1k0s h ILE 68 Cb 2.03 0.23 0.03 0.00 -1.09 0.00 0.00 36.82 38.02 1k0s h ILE 68 CO 0.11 0.23 -1.20 0.25 -1.08 0.00 0.00 178.15 176.47 1k0s h LEU 69 N 1.00 0.85 0.00 2.19 7.12 -0.54 -3.50 115.31 122.42 1k0s h LEU 69 Ca 0.26 -0.83 0.00 0.00 0.13 0.00 0.00 57.88 57.44 1k0s h LEU 69 Cb 0.01 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 39.87 1k0s h LEU 69 CO -0.04 1.59 0.00 0.61 -0.13 0.00 0.00 178.44 180.47 1k0s n GLY 70 N 1.39 1.29 0.48 3.75 0.00 0.34 -5.03 105.19 107.41 1k0s n GLY 70 Ca -0.14 -0.86 0.06 0.00 0.00 0.00 0.00 46.02 45.08 1k0s n GLY 70 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1k0s n ILE 71 N 0.00 0.00 0.00 -0.61 -5.35 -1.25 -4.21 119.36 107.93 1k0s n ILE 71 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1k0s n ILE 71 Cb 0.00 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 37.75 1k0s n ILE 71 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1k0s n SER 72 N -4.44 0.00 -1.45 7.28 7.64 -1.26 -4.95 113.62 116.44 1k0s n SER 72 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1k0s n SER 72 Cb 0.20 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1k0s n SER 72 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1k0s n PHE 73 N 0.00 -2.59 -2.01 1.43 7.35 -1.26 -4.99 117.46 115.39 1k0s n PHE 73 Ca 0.00 1.38 -0.05 0.00 -0.76 0.00 0.00 57.45 58.02 1k0s n PHE 73 Cb 0.00 -2.25 -0.05 0.00 0.35 0.00 0.00 39.48 37.53 1k0s n PHE 73 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1k0s n ASP 74 N -0.70 -0.71 0.00 -2.13 2.03 -1.26 -5.03 116.55 108.75 1k0s n ASP 74 Ca 0.00 -1.74 0.00 0.00 0.52 0.00 0.00 54.79 53.57 1k0s n ASP 74 Cb 0.00 0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 1k0s n ASP 74 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1k0s n GLU 75 N 0.01 0.00 -0.31 -0.67 1.02 -1.26 -4.61 120.64 114.82 1k0s n GLU 75 Ca -0.20 0.00 0.24 0.00 -0.02 0.00 0.00 57.16 57.18 1k0s n GLU 75 Cb 0.66 -0.04 0.45 0.00 -0.02 0.00 0.00 31.44 32.48 1k0s n GLU 75 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1k0s n GLN 76 N 0.00 -0.06 0.13 3.49 1.13 -1.26 0.42 117.38 121.23 1k0s n GLN 76 Ca 0.00 1.35 -0.24 0.00 -1.94 0.00 0.00 57.00 56.17 1k0s n GLN 76 Cb 0.00 -2.31 -0.15 0.00 0.11 0.00 0.00 30.24 27.89 1k0s n GLN 76 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1k0s h LYS 77 N 0.00 0.55 -6.30 -1.09 1.79 -1.97 -3.46 116.57 106.09 1k0s h LYS 77 Ca 0.72 -0.89 -0.66 0.00 -2.18 0.00 0.00 60.65 57.64 1k0s h LYS 77 Cb 1.77 0.32 0.08 0.00 -1.58 0.00 0.00 32.23 32.82 1k0s h LYS 77 CO -0.79 1.42 0.17 -1.33 -1.08 0.00 0.00 179.45 177.85 1k0s n MET 78 N -3.73 1.01 -1.28 3.15 2.81 0.17 -4.44 117.12 114.81 1k0s n MET 78 Ca -0.16 0.36 -0.04 0.00 -1.81 0.00 0.00 57.70 56.05 1k0s n MET 78 Cb 1.08 -1.80 -0.01 0.00 -0.71 0.00 0.00 33.22 31.77 1k0s n MET 78 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1k0s n LYS 79 N 1.57 0.27 -3.57 0.03 5.02 0.18 -4.82 118.16 116.84 1k0s n LYS 79 Ca 0.15 -0.82 -0.10 0.00 -2.02 0.00 0.00 58.31 55.52 1k0s n LYS 79 Cb 0.24 0.46 -0.05 0.00 -0.02 0.00 0.00 35.03 35.66 1k0s n LYS 79 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1k0s s SER 80 N -0.80 -0.35 0.03 4.39 0.15 0.17 -4.31 113.70 112.97 1k0s s SER 80 Ca 0.02 0.34 0.09 0.00 0.70 0.00 0.00 55.95 57.10 1k0s s SER 80 Cb 0.09 0.30 -0.03 0.00 -1.71 0.00 0.00 66.02 64.67 1k0s s SER 80 CO -0.03 -0.36 -0.26 -0.63 1.20 0.00 0.00 173.24 173.17 1k0s s ILE 81 N -1.33 2.10 -0.19 6.45 1.01 -0.93 0.34 121.20 128.64 1k0s s ILE 81 Ca -0.00 -1.30 -0.03 0.00 0.00 0.00 0.00 60.65 59.31 1k0s s ILE 81 Cb -0.01 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 1k0s s ILE 81 CO 0.00 0.42 -0.05 -0.63 0.00 0.00 0.00 174.94 174.68 1k0s s ILE 82 N -0.75 3.43 0.16 2.92 1.01 0.23 0.61 121.20 128.82 1k0s s ILE 82 Ca 0.11 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 1k0s s ILE 82 Cb -0.10 -2.53 -0.06 0.00 0.01 0.00 0.00 42.46 39.78 1k0s s ILE 82 CO 0.01 0.45 0.46 -0.69 0.00 0.00 0.00 174.94 175.18 1k0s s VAL 83 N 1.09 5.03 0.21 2.92 1.01 -0.10 -0.36 120.40 130.19 1k0s s VAL 83 Ca 0.01 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1k0s s VAL 83 Cb -0.15 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 1k0s s VAL 83 CO -0.00 0.09 0.23 0.00 0.00 0.00 0.00 175.10 175.41 1k0s n ALA 84 N 0.30 0.14 -2.23 5.51 0.00 0.31 0.43 120.51 124.98 1k0s n ALA 84 Ca -0.03 -1.09 -0.13 0.00 0.00 0.00 0.00 53.44 52.19 1k0s n ALA 84 Cb 0.52 0.88 -0.10 0.00 0.00 0.00 0.00 19.45 20.75 1k0s n ALA 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1k0s s ARG 85 N -2.67 1.01 -0.29 0.00 6.06 -0.72 -0.29 118.95 122.05 1k0s s ARG 85 Ca 0.21 -1.44 -0.04 0.00 -2.50 0.00 0.00 55.73 51.96 1k0s s ARG 85 Cb 0.00 -0.45 0.19 0.00 0.06 0.00 0.00 34.95 34.76 1k0s s ARG 85 CO 0.15 0.01 0.87 0.95 -2.50 0.00 0.00 175.30 174.78 1k0s s THR 86 N -3.47 -0.55 -1.59 4.11 -4.23 0.37 -4.74 115.64 105.55 1k0s s THR 86 Ca 0.17 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.60 1k0s s THR 86 Cb 0.04 -0.55 0.07 0.00 1.34 0.00 0.00 72.50 73.40 1k0s s THR 86 CO -0.00 0.00 0.39 1.17 -0.54 0.00 0.00 174.62 175.63 1k0s n LYS 87 N 5.23 -2.11 -1.80 3.99 3.00 -1.26 -0.03 118.16 125.18 1k0s n LYS 87 Ca 0.08 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.64 1k0s n LYS 87 Cb 0.56 -4.37 0.00 0.00 0.00 0.00 0.00 35.03 31.23 1k0s n LYS 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1k0s n ASP 88 N -2.81 -1.03 -3.85 3.14 8.00 -1.26 -5.06 116.55 113.69 1k0s n ASP 88 Ca -0.17 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.04 1k0s n ASP 88 Cb 0.61 -0.43 -0.16 0.00 -0.02 0.00 0.00 41.12 41.12 1k0s n ASP 88 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k0s s VAL 89 N -2.17 1.02 -0.66 2.53 1.01 0.95 -5.07 120.40 118.02 1k0s s VAL 89 Ca 0.00 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.00 1k0s s VAL 89 Cb 0.00 -1.33 0.07 0.00 0.00 0.00 0.00 36.38 35.12 1k0s s VAL 89 CO 0.00 -0.05 0.96 -1.61 0.00 0.00 0.00 175.10 174.40 1k0s s GLU 90 N 1.65 3.11 0.44 2.72 2.02 -1.26 0.14 118.70 127.53 1k0s s GLU 90 Ca -0.02 -0.86 -0.04 0.00 0.02 0.00 0.00 54.97 54.07 1k0s s GLU 90 Cb -0.17 -4.24 -0.04 0.00 0.10 0.00 0.00 34.13 29.79 1k0s s GLU 90 CO -0.07 -1.81 0.73 0.08 0.02 0.00 0.00 175.26 174.21 1k0s s VAL 91 N 4.00 4.95 0.13 2.63 1.01 0.60 -3.64 120.40 130.07 1k0s s VAL 91 Ca 0.22 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.35 1k0s s VAL 91 Cb -0.17 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1k0s s VAL 91 CO 0.10 -0.76 -0.16 -0.83 0.00 0.00 0.00 175.10 173.45 1k0s s GLY 92 N -4.01 1.17 -0.08 4.51 0.00 -0.41 0.12 107.32 108.61 1k0s s GLY 92 Ca 0.46 -1.33 -0.04 0.00 0.00 0.00 0.00 44.72 43.81 1k0s s GLY 92 CO 0.42 -1.38 0.18 -0.12 0.00 0.00 0.00 173.10 172.20 1k0s s PHE 93 N -2.00 -0.23 -0.01 1.90 5.36 0.51 -1.48 117.98 122.03 1k0s s PHE 93 Ca 0.10 0.61 -0.21 0.00 -0.96 0.00 0.00 56.93 56.48 1k0s s PHE 93 Cb -0.06 -0.06 -0.05 0.00 -0.34 0.00 0.00 43.02 42.51 1k0s s PHE 93 CO 0.04 -0.21 0.60 -1.17 -1.46 0.00 0.00 175.22 173.03 1k0s s LEU 94 N 1.36 4.40 0.00 6.12 2.96 -0.80 0.78 118.68 133.50 1k0s s LEU 94 Ca -0.08 1.16 -0.01 0.00 -0.22 0.00 0.00 54.13 54.99 1k0s s LEU 94 Cb -0.11 -2.93 0.00 0.00 0.50 0.00 0.00 46.19 43.65 1k0s s LEU 94 CO -0.07 0.08 0.25 1.33 -1.32 0.00 0.00 176.35 176.62 1k0s n VAL 95 N 2.84 0.00 -0.03 1.68 0.24 0.15 -4.56 118.33 118.67 1k0s n VAL 95 Ca -0.06 -0.97 -0.03 0.00 -2.04 0.00 0.00 64.34 61.23 1k0s n VAL 95 Cb 0.51 0.59 -0.01 0.00 -1.47 0.00 0.00 33.84 33.46 1k0s n VAL 95 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1k0s n ASP 96 N -1.90 0.83 -3.88 -1.34 2.03 -1.26 0.52 116.55 111.55 1k0s n ASP 96 Ca 0.01 0.14 -0.26 0.00 0.52 0.00 0.00 54.79 55.19 1k0s n ASP 96 Cb 0.31 -0.50 -0.17 0.00 -0.72 0.00 0.00 41.12 40.04 1k0s n ASP 96 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1k0s s ARG 97 N -1.81 1.36 -0.29 -0.67 3.52 -1.26 -4.13 118.95 115.67 1k0s s ARG 97 Ca -0.10 -0.19 -0.07 0.00 -0.13 0.00 0.00 55.73 55.24 1k0s s ARG 97 Cb 0.01 -1.46 0.01 0.00 -1.56 0.00 0.00 34.95 31.95 1k0s s ARG 97 CO 0.15 -0.26 0.08 0.54 -0.81 0.00 0.00 175.30 175.00 1k0s s VAL 98 N 1.72 4.00 0.42 7.11 0.11 -1.26 0.35 120.40 132.85 1k0s s VAL 98 Ca 0.04 -0.66 0.14 0.00 -2.93 0.00 0.00 61.98 58.57 1k0s s VAL 98 Cb -0.13 -3.06 0.15 0.00 -1.53 0.00 0.00 36.38 31.82 1k0s s VAL 98 CO -0.07 0.09 1.94 -0.07 -3.33 0.00 0.00 175.10 173.65 1k0s h LEU 99 N 8.24 0.00 0.00 2.54 -0.00 0.67 -3.47 115.31 123.29 1k0s h LEU 99 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 1k0s h LEU 99 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 1k0s h LEU 99 CO 0.60 0.25 0.00 0.61 -0.00 0.00 0.00 178.44 179.90 1k0s n GLY 100 N -0.82 1.12 3.67 0.83 0.00 -0.34 -4.90 105.19 104.73 1k0s n GLY 100 Ca -0.02 -0.98 -0.45 0.00 0.00 0.00 0.00 46.02 44.57 1k0s n GLY 100 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1k0s n VAL 101 N 0.00 0.82 -4.18 1.61 3.14 -1.25 -0.19 118.33 118.28 1k0s n VAL 101 Ca 0.00 -0.21 -0.16 0.00 -2.96 0.00 0.00 64.34 61.01 1k0s n VAL 101 Cb 0.00 -1.44 -0.14 0.00 -1.06 0.00 0.00 33.84 31.19 1k0s n VAL 101 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1k0s s LEU 102 N 0.22 2.01 -1.28 6.55 2.96 0.38 -4.76 118.68 124.74 1k0s s LEU 102 Ca 0.70 -0.10 -0.10 0.00 -0.22 0.00 0.00 54.13 54.40 1k0s s LEU 102 Cb -0.67 -0.29 0.16 0.00 0.50 0.00 0.00 46.19 45.90 1k0s s LEU 102 CO 0.48 0.07 1.83 -2.11 -1.32 0.00 0.00 176.35 175.30 1k0s n ARG 103 N 2.95 3.55 -3.18 1.98 1.85 -1.26 -1.19 116.66 121.35 1k0s n ARG 103 Ca -0.13 -3.53 -0.39 0.00 -1.00 0.00 0.00 57.85 52.80 1k0s n ARG 103 Cb 0.58 -2.96 -0.05 0.00 -1.05 0.00 0.00 32.46 28.97 1k0s n ARG 103 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1k0s s ILE 104 N 0.72 4.98 0.49 8.89 -1.09 0.87 -4.80 121.20 131.26 1k0s s ILE 104 Ca 0.41 1.25 -0.03 0.00 -2.23 0.00 0.00 60.65 60.05 1k0s s ILE 104 Cb 0.08 -3.94 0.10 0.00 -1.58 0.00 0.00 42.46 37.12 1k0s s ILE 104 CO 0.00 0.37 0.67 0.35 -1.23 0.00 0.00 174.94 175.10 1k0s n THR 105 N 3.10 0.00 -3.13 2.92 -2.24 -1.26 0.13 114.28 113.80 1k0s n THR 105 Ca -0.06 -0.86 -0.18 0.00 -2.27 0.00 0.00 64.05 60.68 1k0s n THR 105 Cb 0.51 -1.26 -0.05 0.00 -2.10 0.00 0.00 70.33 67.43 1k0s n THR 105 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1k0s n GLU 106 N -2.30 0.42 -0.71 -0.78 2.13 -1.20 -4.69 120.64 113.51 1k0s n GLU 106 Ca 0.10 -2.74 0.08 0.00 0.66 0.00 0.00 57.16 55.27 1k0s n GLU 106 Cb 0.36 -1.52 0.36 0.00 0.27 0.00 0.00 31.44 30.91 1k0s n GLU 106 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1k0s n ASN 107 N 2.52 5.05 -0.01 4.31 5.03 -1.26 -4.13 115.26 126.76 1k0s n ASN 107 Ca 0.23 -2.73 -0.02 0.00 0.87 0.00 0.00 54.58 52.94 1k0s n ASN 107 Cb 0.52 -0.61 -0.01 0.00 -1.02 0.00 0.00 39.78 38.66 1k0s n ASN 107 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1k0s n GLN 108 N 0.67 0.05 -1.93 3.52 10.64 -1.26 -5.04 117.38 124.03 1k0s n GLN 108 Ca 0.26 0.02 -0.40 0.00 -1.83 0.00 0.00 57.00 55.04 1k0s n GLN 108 Cb 1.02 -0.61 -0.00 0.00 -0.86 0.00 0.00 30.24 29.78 1k0s n GLN 108 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1k0s s LEU 109 N -6.04 4.28 -0.28 2.61 1.43 -1.26 -4.22 118.68 115.20 1k0s s LEU 109 Ca -0.03 2.86 -0.20 0.00 -1.03 0.00 0.00 54.13 55.73 1k0s s LEU 109 Cb 0.01 -3.77 0.11 0.00 0.03 0.00 0.00 46.19 42.58 1k0s s LEU 109 CO 0.04 -0.85 0.89 -0.62 0.23 0.00 0.00 176.35 176.04 1k0s s ASP 110 N -0.42 -0.63 0.00 2.29 2.15 -1.26 -4.83 116.67 113.97 1k0s s ASP 110 Ca 0.54 1.08 0.00 0.00 0.43 0.00 0.00 52.55 54.60 1k0s s ASP 110 Cb -0.43 1.19 0.00 0.00 -0.30 0.00 0.00 42.92 43.39 1k0s s ASP 110 CO 0.56 -0.18 0.00 0.18 -0.17 0.00 0.00 175.17 175.57 1k0s n LEU 111 N 3.28 0.00 -2.32 -1.34 4.77 -1.26 -2.88 117.00 117.25 1k0s n LEU 111 Ca -0.17 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.79 1k0s n LEU 111 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1k0s n LEU 111 CO 0.01 0.00 0.51 1.07 -1.33 0.00 0.00 177.39 177.66 1k0s n THR 112 N 0.00 0.00 -1.47 -5.08 5.66 -1.26 -5.12 114.28 107.01 1k0s n THR 112 Ca 0.00 -0.51 0.00 0.00 -3.05 0.00 0.00 64.05 60.49 1k0s n THR 112 Cb 0.00 0.60 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 1k0s n THR 112 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1k0s n ASN 113 N -0.44 -7.13 -0.02 1.09 3.02 -1.14 -4.91 115.26 105.72 1k0s n ASN 113 Ca -0.18 0.97 -0.13 0.00 -0.03 0.00 0.00 54.58 55.21 1k0s n ASN 113 Cb 0.63 -3.60 -0.11 0.00 -0.61 0.00 0.00 39.78 36.09 1k0s n ASN 113 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1k0s h VAL 114 N 2.62 1.45 -3.00 2.41 2.07 -1.76 -3.44 116.25 116.61 1k0s h VAL 114 Ca 0.00 -1.46 -0.16 0.00 0.82 0.00 0.00 66.70 65.89 1k0s h VAL 114 Cb 0.00 2.43 0.06 0.00 -1.52 0.00 0.00 31.29 32.26 1k0s h VAL 114 CO 0.00 0.37 -0.28 -1.20 0.02 0.00 0.00 177.57 176.49 1k0s n SER 115 N -4.80 -3.66 -3.39 0.57 7.64 -1.25 -5.02 113.62 103.72 1k0s n SER 115 Ca -0.09 -0.22 -0.19 0.00 1.01 0.00 0.00 58.87 59.38 1k0s n SER 115 Cb 0.31 -2.34 -0.09 0.00 -1.01 0.00 0.00 64.21 61.08 1k0s n SER 115 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1k0s s ASP 116 N -3.16 1.58 0.00 6.43 1.11 -1.18 -4.72 116.67 116.73 1k0s s ASP 116 Ca 0.22 -1.45 0.00 0.00 0.18 0.00 0.00 52.55 51.50 1k0s s ASP 116 Cb -0.10 0.40 0.00 0.00 1.07 0.00 0.00 42.92 44.29 1k0s s ASP 116 CO 0.30 -0.30 0.00 0.29 1.18 0.00 0.00 175.17 176.63 1k0s n LYS 117 N 4.50 0.00 0.11 8.23 4.76 -1.26 -4.96 118.16 129.54 1k0s n LYS 117 Ca 0.08 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.39 1k0s n LYS 117 Cb 0.44 -0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.55 1k0s n LYS 117 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1k0s h PHE 118 N 0.00 -0.28 0.00 2.13 3.57 -1.85 -3.39 116.94 117.13 1k0s h PHE 118 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1k0s h PHE 118 Cb 0.00 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1k0s h PHE 118 CO 0.00 0.06 0.00 0.41 -2.23 0.00 0.00 178.31 176.55 1k0s n GLY 119 N -0.22 0.00 3.13 2.40 0.00 -1.26 -4.92 105.19 104.31 1k0s n GLY 119 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 1k0s n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k0s n LYS 120 N 0.00 -4.96 0.00 1.61 5.02 -1.26 -4.91 118.16 113.66 1k0s n LYS 120 Ca 0.00 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 1k0s n LYS 120 Cb 0.00 -5.45 0.00 0.00 -0.02 0.00 0.00 35.03 29.56 1k0s n LYS 120 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1k0s n LYS 121 N -3.60 0.00 0.00 1.97 3.00 -1.26 -5.15 118.16 113.13 1k0s n LYS 121 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.10 1k0s n LYS 121 Cb 0.64 -0.46 0.00 0.00 0.00 0.00 0.00 35.03 35.21 1k0s n LYS 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1k0s n SER 122 N -1.07 0.00 0.12 3.14 3.41 -1.26 -3.76 113.62 114.20 1k0s n SER 122 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1k0s n SER 122 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1k0s n SER 122 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1k0s h LYS 123 N 0.00 -0.28 0.00 4.33 1.63 -1.90 -3.43 116.57 116.92 1k0s h LYS 123 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1k0s h LYS 123 Cb 0.00 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1k0s h LYS 123 CO 0.00 -0.02 0.00 0.41 -3.45 0.00 0.00 179.45 176.39 1k0s n GLY 124 N -0.58 3.65 3.77 5.01 0.00 -0.79 -3.11 105.19 113.14 1k0s n GLY 124 Ca -0.09 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 1k0s n GLY 124 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k0s s LEU 125 N 0.00 4.44 0.15 0.99 1.98 -1.26 -1.54 118.68 123.43 1k0s s LEU 125 Ca 0.00 2.56 0.09 0.00 -2.89 0.00 0.00 54.13 53.89 1k0s s LEU 125 Cb 0.00 -3.68 -0.04 0.00 0.66 0.00 0.00 46.19 43.13 1k0s s LEU 125 CO 0.00 -0.46 -0.21 0.54 -1.89 0.00 0.00 176.35 174.33 1k0s s VAL 126 N -1.17 1.94 -0.03 1.68 0.11 0.22 -4.75 120.40 118.40 1k0s s VAL 126 Ca 0.49 -1.80 -0.01 0.00 -2.93 0.00 0.00 61.98 57.72 1k0s s VAL 126 Cb -0.37 -1.83 0.02 0.00 -1.53 0.00 0.00 36.38 32.67 1k0s s VAL 126 CO 0.49 -0.15 0.06 -0.75 -3.33 0.00 0.00 175.10 171.42 1k0s s LYS 127 N -2.41 0.04 -0.28 1.54 2.20 -1.26 -0.06 119.74 119.52 1k0s s LYS 127 Ca 0.14 0.16 -0.23 0.00 -0.36 0.00 0.00 55.97 55.67 1k0s s LYS 127 Cb -0.08 -0.08 0.10 0.00 -1.51 0.00 0.00 37.83 36.26 1k0s s LYS 127 CO 0.06 -0.08 0.87 0.99 -0.36 0.00 0.00 175.35 176.83 1k0s s THR 128 N 0.52 0.00 -1.28 3.43 2.01 -0.83 -4.86 115.64 114.63 1k0s s THR 128 Ca -0.04 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.89 1k0s s THR 128 Cb -0.06 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.46 1k0s s THR 128 CO -0.02 0.00 1.11 -0.67 -0.69 0.00 0.00 174.62 174.35 1k0s n ASP 129 N 2.80 -5.40 -2.55 3.53 2.03 -1.26 -1.23 116.55 114.47 1k0s n ASP 129 Ca -0.15 -0.53 -0.17 0.00 0.52 0.00 0.00 54.79 54.46 1k0s n ASP 129 Cb 0.56 -4.88 -0.00 0.00 -0.72 0.00 0.00 41.12 36.08 1k0s n ASP 129 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k0s n GLY 130 N -1.79 -0.50 3.33 0.27 0.00 -1.26 -4.95 105.19 100.28 1k0s n GLY 130 Ca -0.05 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1k0s n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k0s s ARG 131 N -5.17 2.90 -1.22 1.61 1.81 -0.37 -5.06 118.95 113.45 1k0s s ARG 131 Ca 0.06 -0.80 -0.14 0.00 -1.72 0.00 0.00 55.73 53.13 1k0s s ARG 131 Cb -0.03 -2.37 0.16 0.00 -0.45 0.00 0.00 34.95 32.27 1k0s s ARG 131 CO 0.07 0.33 1.48 -0.11 -0.68 0.00 0.00 175.30 176.40 1k0s n LEU 132 N 3.12 5.27 -4.86 2.53 7.94 -1.26 -1.96 117.00 127.78 1k0s n LEU 132 Ca -0.18 -4.43 -0.33 0.00 -1.11 0.00 0.00 56.01 49.96 1k0s n LEU 132 Cb 0.52 -1.62 -0.06 0.00 0.53 0.00 0.00 43.42 42.79 1k0s n LEU 132 CO 0.27 0.72 0.29 -0.63 -1.11 0.00 0.00 177.39 176.93 1k0s s ILE 133 N 1.71 4.82 -0.19 1.96 1.01 0.92 -3.48 121.20 127.95 1k0s s ILE 133 Ca 0.44 0.75 -0.08 0.00 0.00 0.00 0.00 60.65 61.76 1k0s s ILE 133 Cb -0.02 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1k0s s ILE 133 CO 0.01 0.00 0.07 -0.63 0.00 0.00 0.00 174.94 174.39 1k0s s ILE 134 N -1.75 4.85 0.04 2.92 1.09 0.12 0.68 121.20 129.15 1k0s s ILE 134 Ca 0.46 -0.01 0.07 0.00 -1.10 0.00 0.00 60.65 60.08 1k0s s ILE 134 Cb -0.12 -3.19 -0.03 0.00 -1.06 0.00 0.00 42.46 38.05 1k0s s ILE 134 CO 0.20 0.45 -0.20 -0.47 -0.10 0.00 0.00 174.94 174.81 1k0s s TYR 135 N 0.45 2.50 0.21 3.97 5.04 -0.59 0.78 117.35 129.71 1k0s s TYR 135 Ca 0.04 -0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.37 1k0s s TYR 135 Cb -0.12 -1.46 -0.04 0.00 0.35 0.00 0.00 41.96 40.69 1k0s s TYR 135 CO 0.00 0.21 0.10 -0.51 -1.34 0.00 0.00 175.55 174.01 1k0s s LEU 136 N -1.33 1.46 -0.02 6.97 1.02 0.03 -1.88 118.68 124.93 1k0s s LEU 136 Ca 0.14 -1.35 0.07 0.00 0.02 0.00 0.00 54.13 53.00 1k0s s LEU 136 Cb -0.10 0.21 0.12 0.00 0.02 0.00 0.00 46.19 46.43 1k0s s LEU 136 CO 0.04 -0.77 1.05 -0.67 0.02 0.00 0.00 176.35 176.02 1k0s n ASP 137 N -0.32 0.53 -0.82 2.29 2.03 -1.26 -1.69 116.55 117.31 1k0s n ASP 137 Ca -0.00 -2.21 -0.03 0.00 0.52 0.00 0.00 54.79 53.07 1k0s n ASP 137 Cb 0.66 -0.26 -0.01 0.00 -0.72 0.00 0.00 41.12 40.79 1k0s n ASP 137 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k0s n ILE 138 N -0.16 0.00 -0.05 5.18 3.06 -1.26 -4.77 119.36 121.35 1k0s n ILE 138 Ca 0.04 0.00 -0.02 0.00 -2.50 0.00 0.00 62.75 60.27 1k0s n ILE 138 Cb 0.76 -0.33 -0.01 0.00 0.54 0.00 0.00 39.64 40.60 1k0s n ILE 138 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 1k0s h ASP 139 N 0.00 0.00 0.50 9.51 1.82 -1.97 -2.46 116.42 123.82 1k0s h ASP 139 Ca -0.06 -0.08 -0.22 0.00 -0.39 0.00 0.00 57.03 56.28 1k0s h ASP 139 Cb 0.24 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.25 1k0s h ASP 139 CO 0.09 0.58 -0.95 0.11 -1.61 0.00 0.00 179.24 177.46 1k0s h LYS 140 N -1.00 0.29 -0.25 0.28 6.56 -1.86 -2.39 116.57 118.21 1k0s h LYS 140 Ca -0.00 -0.33 -0.04 0.00 -1.06 0.00 0.00 60.65 59.21 1k0s h LYS 140 Cb 0.16 0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.91 1k0s h LYS 140 CO -0.00 1.05 -0.00 0.97 -2.06 0.00 0.00 179.45 179.40 1k0s h ILE 141 N 0.15 1.26 -0.56 1.86 -0.00 -1.75 -2.41 117.51 116.06 1k0s h ILE 141 Ca -0.07 -0.91 -0.03 0.00 -0.00 0.00 0.00 64.86 63.86 1k0s h ILE 141 Cb 1.59 1.37 -0.03 0.00 -0.00 0.00 0.00 36.82 39.76 1k0s h ILE 141 CO 0.15 0.28 0.24 -0.29 -0.00 0.00 0.00 178.15 178.54 1k0s h ILE 142 N 0.21 1.22 -0.77 2.19 6.09 -1.48 -1.87 117.51 123.10 1k0s h ILE 142 Ca 0.07 -0.65 0.18 0.00 -1.37 0.00 0.00 64.86 63.09 1k0s h ILE 142 Cb 0.42 0.60 -0.13 0.00 0.47 0.00 0.00 36.82 38.18 1k0s h ILE 142 CO 0.01 0.25 0.10 -0.08 -3.07 0.00 0.00 178.15 175.37 1k0s h GLU 143 N 0.76 0.17 -0.48 2.19 4.57 -1.23 0.83 114.58 121.40 1k0s h GLU 143 Ca 0.19 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.29 1k0s h GLU 143 Cb 0.17 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1k0s h GLU 143 CO -0.02 0.11 0.01 0.93 -1.18 0.00 0.00 179.01 178.86 1k0s h GLU 144 N 0.17 0.78 -0.92 1.92 5.08 -0.93 -0.47 114.58 120.21 1k0s h GLU 144 Ca 0.44 -0.20 0.11 0.00 -1.00 0.00 0.00 59.36 58.71 1k0s h GLU 144 Cb 0.80 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.87 1k0s h GLU 144 CO -0.61 0.78 0.56 0.82 -1.00 0.00 0.00 179.01 179.56 1k0s h ILE 145 N 0.73 0.91 0.00 3.13 2.04 0.14 0.71 117.51 125.17 1k0s h ILE 145 Ca 0.14 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1k0s h ILE 145 Cb 0.43 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1k0s h ILE 145 CO 0.02 0.16 -0.06 0.71 0.00 0.00 0.00 178.15 178.99 1k0s h THR 146 N 0.89 1.71 0.00 -0.27 1.35 -0.91 -3.31 112.91 112.38 1k0s h THR 146 Ca 0.46 -2.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.01 1k0s h THR 146 Cb 0.45 3.25 0.00 0.00 -1.73 0.00 0.00 68.15 70.11 1k0s h THR 146 CO -0.26 0.58 0.00 0.55 -0.25 0.00 0.00 175.52 176.13 1k0s n VAL 147 N -4.61 0.00 -0.25 6.82 3.14 -0.22 -4.19 118.33 119.03 1k0s n VAL 147 Ca -0.11 0.00 0.05 0.00 -2.96 0.00 0.00 64.34 61.32 1k0s n VAL 147 Cb 0.47 -0.07 0.15 0.00 -1.06 0.00 0.00 33.84 33.34 1k0s n VAL 147 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1k0s h LYS 148 N 0.00 0.11 -3.52 1.45 3.64 0.35 -3.48 116.57 115.12 1k0s h LYS 148 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1k0s h LYS 148 Cb 0.00 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1k0s h LYS 148 CO 0.00 0.07 -0.87 0.39 -2.27 0.00 0.00 179.45 176.77 1k0s n GLU 149 N -5.33 -4.28 -2.59 1.90 1.02 -1.26 -5.03 120.64 105.08 1k0s n GLU 149 Ca 0.13 3.21 -0.04 0.00 -0.02 0.00 0.00 57.16 60.43 1k0s n GLU 149 Cb 0.46 -3.66 0.04 0.00 -0.02 0.00 0.00 31.44 28.26 1k0s n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k0s n GLY 150 N -1.12 0.13 0.00 0.62 0.00 -1.26 -5.02 105.19 98.54 1k0s n GLY 150 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1k0s n GLY 150 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87